Hydrocarbon/Water Interactions: Encouraging Energetics and Structures from DFT but Disconcerting Discrepancies for Hessian Indices

标题
Hydrocarbon/Water Interactions: Encouraging Energetics and Structures from DFT but Disconcerting Discrepancies for Hessian Indices
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 8, Issue 5, Pages 1646-1656
出版商
American Chemical Society (ACS)
发表日期
2012-03-23
DOI
10.1021/ct300132e

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